3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine

C14H14F3N3 — CID 107920651

IUPAC3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccnc1N)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H14F3N3/c1-19-12(5-8-3-2-4-20-14(8)18)13-10(16)6-9(15)7-11(13)17/h2-4,6-7,12,19H,5H2,1H3,(H2,18,20)
InChIKeyAOXDREXMXKCBQX-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.58
Rot. Bonds4

About 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine

3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine (PubChem CID 107920651) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
PubChem CID107920651
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccnc1N)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H14F3N3/c1-19-12(5-8-3-2-4-20-14(8)18)13-10(16)6-9(15)7-11(13)17/h2-4,6-7,12,19H,5H2,1H3,(H2,18,20)
InChIKeyAOXDREXMXKCBQX-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316
3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 79522491
3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 79517746
2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82730771
3-[2-(methylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-2-amine
CID 113329550
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine
CID 113453367
3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 115567050
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115840099
3-[2-(6-methoxypyridazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 103374238
3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 114894906

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine (CID 107920651) is 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine is CNC(Cc1cccnc1N)c1c(F)cc(F)cc1F.
What is the InChIKey of 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is AOXDREXMXKCBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-19-12(5-8-3-2-4-20-14(8)18)13-10(16)6-9(15)7-11(13)17/h2-4,6-7,12,19H,5H2,1H3,(H2,18,20).
What are the key properties of 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine?
3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 107920651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).